2,3-bis(2-chloroethyl)oxirane

C6H10Cl2O — CID 21447551

IUPAC2,3-bis(2-chloroethyl)oxirane
SMILESClCCC1OC1CCCl
InChIInChI=1S/C6H10Cl2O/c7-3-1-5-6(9-5)2-4-8/h5-6H,1-4H2
InChIKeyJLWAPHACSJWWQP-UHFFFAOYSA-N
MW169.05 g/mol
LogP2.01
Rot. Bonds4

About 2,3-bis(2-chloroethyl)oxirane

2,3-bis(2-chloroethyl)oxirane (PubChem CID 21447551) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is 2,3-bis(2-chloroethyl)oxirane.

Molecular Properties

Compound Name2,3-bis(2-chloroethyl)oxirane
PubChem CID21447551
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name2,3-bis(2-chloroethyl)oxirane
SMILESClCCC1OC1CCCl
InChIInChI=1S/C6H10Cl2O/c7-3-1-5-6(9-5)2-4-8/h5-6H,1-4H2
InChIKeyJLWAPHACSJWWQP-UHFFFAOYSA-N
XLogP2.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,3-bis(2-chloroethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Chloropropyl)oxirane
CID 86828
2-(1-Chloroethyl)-3-(1-fluoroethyl)oxirane
CID 21452192
(2S)-2-(4-chlorobutyl)oxirane
CID 101901329
2-(4-Chlorobutyl)oxirane
CID 11263518
2-(1-Chloroethyl)-3-methyloxirane
CID 12203717
2-(2-Chloroethyl)-3-methyloxirane
CID 13023287
2-(Chloromethyl)-3-ethyloxirane
CID 13088757
2-(2,3-Dichloropropyl)oxirane
CID 13801728
2-(Chloromethyl)-3-propyloxirane
CID 18324215
2-(1-Chloroethyl)-3-ethyloxirane
CID 20458542
2,3-Bis(3-chloropropyl)oxirane
CID 21447518
2-(1-Chloroethyl)-3-(chloromethyl)oxirane
CID 21452217

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-chloroethyl)oxirane?
The IUPAC name of 2,3-bis(2-chloroethyl)oxirane (CID 21447551) is 2,3-bis(2-chloroethyl)oxirane.
What is the SMILES notation for 2,3-bis(2-chloroethyl)oxirane?
The canonical SMILES for 2,3-bis(2-chloroethyl)oxirane is ClCCC1OC1CCCl.
What is the InChIKey of 2,3-bis(2-chloroethyl)oxirane?
The InChIKey is JLWAPHACSJWWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O/c7-3-1-5-6(9-5)2-4-8/h5-6H,1-4H2.
What are the key properties of 2,3-bis(2-chloroethyl)oxirane?
2,3-bis(2-chloroethyl)oxirane has a molecular weight of 169.05 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-chloroethyl)oxirane is sourced from PubChem (CID 21447551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).